bmse000107 Phosphoenolpyruvic acid at BMRB

Phosphoenolpyruvic acid

2-Propenoic acid, 2-(phosphonooxy)-, ion(1-); PHOSPHOENOLPYRUVATE; PEP; Phosphoenolpyruvic acid; 2-(Phosphonooxy)acrylate; Phosphoenolpyruvate

Molecular Formula: C3 H5 O6 P
Natural Isotopic Abundance Mass: 168.041961
Mono-Isotopic Molecular Masses: C12N14: 167.9823744031; C13N14: 170.9924389165; C12N15: 167.9823744031; C13N15: 170.9924389165

Phosphoenolpyruvic acid

InCHi String:
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)

isomeric and canonical SMILES:
C=C(C(=O)O)OP(=O)(O)[O-]

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid

IUPAC traditional
2-(hydroxy-oxido-phosphoryl)oxyacrylic acid

PubChem Substance (SID):   85164943   149255   3374
PubChem Compound (CID):   6315
KEGG: Compound ID   C00074
CAS Registry IDs:   73-89-2
PDB Chemical Component   PEP
Miscellaneous Databases and IDs:   CHEBI 26055   EINECS 200-804-3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.